1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine

C13H17F2N — CID 117323744

IUPAC1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
SMILESCc1ccc(C(F)F)c(C2(N)CCCC2)c1
InChIInChI=1S/C13H17F2N/c1-9-4-5-10(12(14)15)11(8-9)13(16)6-2-3-7-13/h4-5,8,12H,2-3,6-7,16H2,1H3
InChIKeyTUJHNUSUFGDXJF-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.66
Rot. Bonds2

About 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine

1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine (PubChem CID 117323744) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
PubChem CID117323744
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
SMILESCc1ccc(C(F)F)c(C2(N)CCCC2)c1
InChIInChI=1S/C13H17F2N/c1-9-4-5-10(12(14)15)11(8-9)13(16)6-2-3-7-13/h4-5,8,12H,2-3,6-7,16H2,1H3
InChIKeyTUJHNUSUFGDXJF-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
CID 84785745
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117355108
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966
4-(2-fluoro-5-methylphenyl)oxepan-4-amine
CID 65077062
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
CID 117366356
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964
1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117368710

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine (CID 117323744) is 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine is Cc1ccc(C(F)F)c(C2(N)CCCC2)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine?
The InChIKey is TUJHNUSUFGDXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-4-5-10(12(14)15)11(8-9)13(16)6-2-3-7-13/h4-5,8,12H,2-3,6-7,16H2,1H3.
What are the key properties of 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine?
1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine is sourced from PubChem (CID 117323744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).